CID 19805509

120276-03-1

Structural Information

Molecular Formula

C₇H₁₂N₂S

SMILES

CC1=C(SC(=N1)C)C(C)N

InChI

InChI=1S/C7H12N2S/c1-4(8)7-5(2)9-6(3)10-7/h4H,8H2,1-3H3

InChIKey

HIJYHZZFVMCOKK-UHFFFAOYSA-N

Compound name

1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 156.07211 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.07939	133.3
[M+Na]+	179.06133	143.6
[M+NH4]+	174.10593	142.2
[M+K]+	195.03527	138.2
[M-H]-	155.06483	135.2
[M+Na-2H]-	177.04678	137.6
[M]+	156.07156	135.6
[M]-	156.07266	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe